Geometry & MOs

Info

ID:	308471
PubChem CID:	125333186
Reduced:	O2N6C15H20 (1)
Stoich.:	A2B6C15D20 (1)
Weight, g/mol:	316.164774
ΔH_f, kcal/mol:	12.54
Dipole, Da:	2.92
IP(EA), eV:	-8.67(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-6-oxopyridazin-3-yl)-N-[(3R)-3-methyl-3H-pyrazol-5-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C=C(N=N1)NC(=O)C2CCN(CC2)C3=NN(C(=O)C=C3)C

DOS

IR

Vibrations